2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one

C10H16N2O — CID 66022937

IUPAC2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCCCn1[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C10H16N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11-12/h11H,2-7H2,1H3
InChIKeyZLZICZHCYAZHLQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.47
Rot. Bonds2

About 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one

2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 66022937) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID66022937
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCCCn1[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C10H16N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11-12/h11H,2-7H2,1H3
InChIKeyZLZICZHCYAZHLQ-UHFFFAOYSA-N
XLogP1.47
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 66022937) is 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one is CCCn1[nH]c2c(c1=O)CCCC2.
What is the InChIKey of 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is ZLZICZHCYAZHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11-12/h11H,2-7H2,1H3.
What are the key properties of 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 66022937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).